N4-(1,3-benzodioxol-5-ylmethyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(3-methylbutyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-isopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N6-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine Traditional Name: isoamyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CCNC1=NC=NC(=C1[N+](=O)[O-])NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H21N5O4/c1-11(2)5-6-18-16-15(22(23)24)17(21-9-20-16)19-8-12-3-4-13-14(7-12)26-10-25-13/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H2,18,19,20,21)